CrystalCell

class sknano.core.crystallography.CrystalCell(lattice=None, basis=None, coords=None, cartesian=False, wrap_coords=False, unit_cell=None, scaling_matrix=None)

Bases: sknano.core.meta.BaseClass, sknano.core.strings.TabulateMixin

Class representation of crystal structure cell.

Parameters:

• lattice (LatticeBase sub-class) –
• basis ({list, BasisAtoms}) –
• coords ({list}, optional) –
• cartesian ({bool}, optional) –
• wrap_coords ({bool}, optional) –
• unit_cell (UnitCell) –
• scaling_matrix ({int, list}) –

Attributes

basis	BasisAtoms.
fmtstr	Format string.
lattice	CrystalLattice.
scaling_matrix	Scaling matrix.
unit_cell	UnitCell.

Methods

rotate(**kwargs)	Rotate crystal cell lattice, basis, and unit cell.
todict()	dict of CrystalCell parameters.
translate(t[, fix_anchor_points])	Translate crystal cell basis.
update_basis(element[, index, step])	Update a crystal cell basis element.

Attributes Summary

basis	BasisAtoms.
lattice	CrystalLattice.
scaling_matrix	Scaling matrix.
unit_cell	UnitCell.

Methods Summary

rotate(**kwargs)	Rotate crystal cell lattice, basis, and unit cell.
todict()	dict of CrystalCell parameters.
translate(t[, fix_anchor_points])	Translate crystal cell basis.
update_basis(element[, index, step])	Update a crystal cell basis element.

Attributes Documentation

basis

BasisAtoms.

lattice

CrystalLattice.

scaling_matrix

Scaling matrix.

unit_cell

UnitCell.

Methods Documentation

rotate(**kwargs)

Rotate crystal cell lattice, basis, and unit cell.

todict()

dict of CrystalCell parameters.

translate(t, fix_anchor_points=True)

Translate crystal cell basis.

update_basis(element, index=None, step=None)

Update a crystal cell basis element.